Home Nitros 1-(2-nitrophenyl)propan-2-one

1-(2-nitrophenyl)propan-2-one

CAS No.:
1969-72-8
Catalog Number:
AG00B4HL
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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Product Description
Catalog Number:
AG00B4HL
Chemical Name:
1-(2-nitrophenyl)propan-2-one
CAS Number:
1969-72-8
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD03410489
IUPAC Name:
1-(2-nitrophenyl)propan-2-one
InChI:
InChI=1S/C9H9NO3/c1-7(11)6-8-4-2-3-5-9(8)10(12)13/h2-5H,6H2,1H3
InChI Key:
VBJUDFZTSGSTGO-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties